6-hydroxy-1,3-dimethyl-5-{1-propanoyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-1,3-dimethyl-5-{1-propanoyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-1,3-dimethyl-5-{1-propanoyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1657 |
| Compound Name: | 6-hydroxy-1,3-dimethyl-5-{1-propanoyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCC(N1C(CC(C2=C(N(C)C(N(C)C2=O)=S)O)=N1)c1ccc(cc1)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7787 |
| logD: | -0.3812 |
| logSw: | -2.9151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.525 |
| InChI Key: | NCNFUOFBODXNLU-MRXNPFEDSA-N |